SCHEMBL12539736

SCHEMBL12539736

COC(C)C(=O)N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14159619 0.95 SMN1; SMN2 (0.43) DPP4DPP7L3MBTL1HPGDHTT
SCHEMBL13359380 0.91 HPGD (0.41) HPGDHTTMAPTLMNAALOX12
SCHEMBL15451847 0.85 HTT (0.46) HPGDHTTMAPTLMNAALOX12
SCHEMBL5661094 0.84 MMP1 (0.42) DPP4DPP7L3MBTL1HPGDHTT
SCHEMBL5661089 0.84 MMP1 (0.42) DPP4DPP7L3MBTL1HPGDHTT
SCHEMBL16906218 0.83 CA2 (0.44) DPP4HPGDHTTMAPTLMNA
SCHEMBL15451943 0.83 CYP1A2 (0.46) HPGDMAPTALDH1A1KDM4E
SCHEMBL13359381 0.81 ALDH1A1 (0.51) L3MBTL1HPGDHTTSMN1; SMN2ALDH1A1
SCHEMBL2385406 0.81 HPGD (0.40) DPP4DPP7L3MBTL1HPGDHTT
SCHEMBL3548621 0.81 HPGD (0.36) HPGDHTTMAPTLMNAALOX12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718283-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2014-04-16 EP claimed
WO-2012169649-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-12-13 WO claimed
US-20110130286-A1 Piperazine Compounds with Herbicidal Effect BASF SE (DE) 2011-06-02 US disclosed
US-7714131-B2 Process for the stereoselective preparation of (−)-halofenate and derivatives thereof METABOLEX, INC. (US) 2010-05-11 US disclosed
US-20070072858-A1 Process for the stereoselective preparation of (-)-halofenate and derivatives thereof METABOLEX, INC. (US) 2007-03-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070072858-A1 Process for the stereoselective preparation of (-)-halofenate and derivatives thereof CCNY, C1S, CBR3 DPP4 952/4885DPP7 4034/4885L3MBTL1 2860/4885
US-20110130286-A1 Piperazine Compounds with Herbicidal Effect CAT, DDT, CIP2A DPP4 329/4885DPP7 192/4885L3MBTL1 3709/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.